Basic information
- CAS
6432-55-9- Standard SMILES
CC(=O)Nc1nc(=S)c2[nH]cnc2[nH]1- InChIKey
FVCDDDCJIQMYMK-UHFFFAOYSA-N- Molecular formula
- C7H7N5OS
- Average molar mass
- 209.23 g/mol
- Monoisotopic mass
- 209.03713104
Names & identifiers
- Preferred name
- N-(6-Sulfanylidene-6,7-dihydro-3H-purin-2-yl)acetamide
- IUPAC
- N-(6-sulfanylidene-3,7-dihydropurin-2-yl)acetamide
Names & synonyms
6432-55-9N-(6-Thioxo-6,7-dihydro-1H-purin-2-yl)acetamideSCHEMBL17595245DTXSID80453030N-(6-Sulfanylidene-6,7-dihydro-3H-purin-2-yl)acetamide
Database identifiers
- CAS
6432-55-9- PubChem CID
- 11042004
- DTXSID
DTXSID80453030- Nikkaji
- J1.258.660D
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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